4-chloro-8-methyl-9H-pyrido[2,3-b]indole

C12H9ClN2 — CID 135085314

IUPAC4-chloro-8-methyl-9H-pyrido[2,3-b]indole
SMILESCc1cccc2c1[nH]c1nccc(Cl)c12
InChIInChI=1S/C12H9ClN2/c1-7-3-2-4-8-10-9(13)5-6-14-12(10)15-11(7)8/h2-6H,1H3,(H,14,15)
InChIKeySRKGJVFGKNISMR-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.68
Rot. Bonds

About 4-chloro-8-methyl-9H-pyrido[2,3-b]indole

4-chloro-8-methyl-9H-pyrido[2,3-b]indole (PubChem CID 135085314) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-chloro-8-methyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-chloro-8-methyl-9H-pyrido[2,3-b]indole
PubChem CID135085314
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name4-chloro-8-methyl-9H-pyrido[2,3-b]indole
SMILESCc1cccc2c1[nH]c1nccc(Cl)c12
InChIInChI=1S/C12H9ClN2/c1-7-3-2-4-8-10-9(13)5-6-14-12(10)15-11(7)8/h2-6H,1H3,(H,14,15)
InChIKeySRKGJVFGKNISMR-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 11160927
5-chloro-8-propan-2-yl-9H-pyrido[2,3-b]indole
CID 172571034
5,7,11-trimethyl-6H-pyrido[4,3-b]carbazole
CID 71407414
4-chloro-6-(furan-2-yl)-9H-pyrido[2,3-b]indole
CID 66766300
N-[1-(8-methyl-9H-pyrido[3,4-b]indol-1-yl)ethyl]acetamide
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7-methyl-9-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13,15,17,20,23,25,27-dodecaene-12,19,22,29-tetrone
CID 19431832
5-chloro-4-methylquinoline;ethane
CID 156751076
7-chloro-2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine
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4-chloro-3-(2-chloroethyl)-8-methyl-1H-quinolin-2-one
CID 15749846
2,8-dimethyl-1H-quinazoline-4-thione
CID 106505540
4-bromo-9H-pyrido[2,3-b]indole
CID 90389488
4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole
CID 118934591

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-chloro-8-methyl-9H-pyrido[2,3-b]indole (CID 135085314) is 4-chloro-8-methyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-chloro-8-methyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-chloro-8-methyl-9H-pyrido[2,3-b]indole is Cc1cccc2c1[nH]c1nccc(Cl)c12.
What is the InChIKey of 4-chloro-8-methyl-9H-pyrido[2,3-b]indole?
The InChIKey is SRKGJVFGKNISMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2/c1-7-3-2-4-8-10-9(13)5-6-14-12(10)15-11(7)8/h2-6H,1H3,(H,14,15).
What are the key properties of 4-chloro-8-methyl-9H-pyrido[2,3-b]indole?
4-chloro-8-methyl-9H-pyrido[2,3-b]indole has a molecular weight of 216.67 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 135085314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).